(2S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-[(2S,4R,5R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-[(2S,5R)-4-[(2S,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: (2S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-[(2S,4R,5R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-[(2S,5R)-4-[(2S,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one
• 化学式: C₄₅H₆₄O₂₁
• 分子量: 941.0
• InChiKey: YUXGFAUYJIHDOI-WJGPTNNASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  66
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  320
• 氢给体数：
  10
• 氢受体数：
  21

文献信息

• GLYCOSYLATE DERIVATIVES OF MITHRAMYCIN, METHOD OF PREPARATION AND USES THEREOF
  申请人：UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION

  公开号：EP2151448B1

  公开（公告）日：2014-04-23